methyl (E)-5-[1-methyl-2,6-bis(oxidanylidene)cyclohexyl]pent-2-enoate

Systemtic Name: methyl (E)-5-[1-methyl-2,6-bis(oxidanylidene)cyclohexyl]pent-2-enoate Openeye Name: methyl (E)-5-(1-methyl-2,6-dioxo-cyclohexyl)pent-2-enoate CAS Name: (E)-5-(1-methyl-2,6-dioxocyclohexyl)-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-(1-methyl-2,6-dioxocyclohexyl)pent-2-enoate Traditional Name: (E)-5-(2,6-diketo-1-methyl-cyclohexyl)pent-2-enoic acid methyl ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCCC1=O)CCC=CC(=O)OC

Isomeric SMILES

CC1(C(=O)CCCC1=O)CC/C=C/C(=O)OC

InChI

InChI=1S/C13H18O4/c1-13(9-4-3-8-12(16)17-2)10(14)6-5-7-11(13)15/h3,8H,4-7,9H2,1-2H3/b8-3+